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3-(4-(3-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)phenyl)thiazolidin-2,4-dione
SpectraBase Compound ID 33Q0U8a1m7h
InChI InChI=1S/C35H24N4O3S/c40-32-23-43-35(42)39(32)30-18-16-29(17-19-30)38-31(24-10-4-1-5-11-24)21-26(34(38)41)20-27-22-37(28-14-8-3-9-15-28)36-33(27)25-12-6-2-7-13-25/h1-22H,23H2
InChIKey DHXYMAJIXRWKMK-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C35H24N4O3S
Exact Mass 580.156912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76dlsb8b2v3
Name 3-(4-(3-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)phenyl)thiazolidin-2,4-dione
Appearance Grey crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H24N4O3S
InChI InChI=1S/C35H24N4O3S/c40-32-23-43-35(42)39(32)30-18-16-29(17-19-30)38-31(24-10-4-1-5-11-24)21-26(34(38)41)20-27-22-37(28-14-8-3-9-15-28)36-33(27)25-12-6-2-7-13-25/h1-22H,23H2
InChIKey DHXYMAJIXRWKMK-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2456
Molecular Weight 580.662 g/mol
SMILES c1(ccccc1)-[n]1nc(c(c1)C=C1C(N(C(=C1)c1ccccc1)c1ccc(cc1)N1C(SCC1=O)=O)=O)-c1ccccc1
SPLASH splash10-0kdr-9702180000-dd5ef8acf9e4df6e7156
Source of Spectrum Y-53-1517-12
Wiley ID 1876619